N-cyclopropyl-4-[[cyclopropyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide

C25H25N3O3 — CID 38042817

IUPACN-cyclopropyl-4-[[cyclopropyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1
InChIInChI=1S/C25H25N3O3/c1-15-22(20-4-2-3-5-21(20)26-15)23(29)25(31)28(19-12-13-19)14-16-6-8-17(9-7-16)24(30)27-18-10-11-18/h2-9,18-19,26H,10-14H2,1H3,(H,27,30)
InChIKeyMZUROWZURQBUIX-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.74
Rot. Bonds7

About N-cyclopropyl-4-[[cyclopropyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide

N-cyclopropyl-4-[[cyclopropyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide (PubChem CID 38042817) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-cyclopropyl-4-[[cyclopropyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[cyclopropyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide
PubChem CID38042817
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-cyclopropyl-4-[[cyclopropyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1
InChIInChI=1S/C25H25N3O3/c1-15-22(20-4-2-3-5-21(20)26-15)23(29)25(31)28(19-12-13-19)14-16-6-8-17(9-7-16)24(30)27-18-10-11-18/h2-9,18-19,26H,10-14H2,1H3,(H,27,30)
InChIKeyMZUROWZURQBUIX-UHFFFAOYSA-N
XLogP3.74
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-cyclopropyl-4-[[cyclopropyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-4-[[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide
CID 38043067
3-chloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55912741
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indazole-3-carboxamide
CID 33345718
N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
CID 33341018
2-(2-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide
CID 7117468
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-methylindole-3-carboxamide
CID 34179436
N-cyclopropyl-4-[[cyclopropyl-[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]methyl]benzamide
CID 34179282
N-cyclopropyl-4-[[cyclopropyl(3-phenylbutanoyl)amino]methyl]benzamide
CID 134062285
N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide
CID 34178957
4-[[(2-cyclohexylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 46565694
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide
CID 33344663
N-cyclopropyl-4-[[cyclopropyl-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]amino]methyl]benzamide
CID 33345317

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[cyclopropyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[cyclopropyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide (CID 38042817) is N-cyclopropyl-4-[[cyclopropyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[cyclopropyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[cyclopropyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide is Cc1[nH]c2ccccc2c1C(=O)C(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-4-[[cyclopropyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide?
The InChIKey is MZUROWZURQBUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-15-22(20-4-2-3-5-21(20)26-15)23(29)25(31)28(19-12-13-19)14-16-6-8-17(9-7-16)24(30)27-18-10-11-18/h2-9,18-19,26H,10-14H2,1H3,(H,27,30).
What are the key properties of N-cyclopropyl-4-[[cyclopropyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[cyclopropyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide has a molecular weight of 415.49 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[cyclopropyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide is sourced from PubChem (CID 38042817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).